CID 91868

2-chloro-6-fluorobenzyl alcohol

Structural Information

Molecular Formula
C7H6ClFO
SMILES
C1=CC(=C(C(=C1)Cl)CO)F
InChI
InChI=1S/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
InChIKey
ZZFCUESFXBCRSC-UHFFFAOYSA-N
Compound name
(2-chloro-6-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

297
Patents

160.00912 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01640 125.1
[M+Na]+ 182.99834 135.7
[M-H]- 159.00184 126.8
[M+NH4]+ 178.04294 146.7
[M+K]+ 198.97228 131.5
[M+H-H2O]+ 143.00638 120.6
[M+HCOO]- 205.00732 143.5
[M+CH3COO]- 219.02297 173.5
[M+Na-2H]- 180.98379 131.7
[M]+ 160.00857 125.5
[M]- 160.00967 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe